SCHEMBL9484180

SCHEMBL9484180

O=[N+]([O-])c1cccc2c1C=C2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.52
GPR35 Q9HC97 2/20 0.50
TSHR P16473 4/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
S100A4 P26447 2/20 0.44
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE10A Q9Y233 1/20 0.40
PTPRC P08575 1/20 0.40
ERN1 O75460 1/20 0.40
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5367478 0.81 ALDH1A1 (0.42) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL11323233 0.79 GAA (0.52) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL5375649 0.74 TDP1 (0.57) TDP1GPR35ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4321464 0.74 S100A4 (0.53) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL65199 0.72 TDP1 (0.61) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL17072807 0.71 KMT2A (0.49) TDP1GPR35ALDH1A1SMN1; SMN2S100A4
SCHEMBL2927806 0.71 S100A4 (0.55) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL2934864 0.71 S100A4 (0.55) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL301228 0.71 TDP1 (0.48) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL3039191 0.71 TDP1 (0.67) TDP1GPR35TSHRALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210339-A Nitrating agent, anhydride, clay, solvent THE DOW CHEMICAL COMPANY (US) 1993-05-11 US disclosed